| Phytochemical Name : Trachelogenin |
| PCNDIDT0080 |
| Pubchem CID : 452855 |
| Molecular formula: C21H24O7 |
| Canonical SMILES : COC1=C(C=C(C=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)O)OC)O)OC |
Synonymes : Trachelogenin|34209-69-3|(-)-Trachelogenin|2(3H)-Furanone, dihydro-3-hydroxy-3-vanillyl-4-veratryl-|UNII-379VHZ3K1I|379VHZ3K1I|CHEBI:9647|(3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one|2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]dihydro-3-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-, (3S,4S)-|2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)dihydro-3-hydroxy-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3S,4S)-|(3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one|TRACHELOGENIN, (-)-|CHEMBL491178|MEGxp0_001798|SCHEMBL3980011|ACon1_002414|DTXSID50187799|HY-N7934|NCGC00169870-01|MS-26437|CS-0138835|BRD-K17107446-001-01-9|Q26359226|2(3H)-FURANONE, 4-((3,4-DIMETHOXYPHENYL)METHYL)DIHYDRO-3-HYDROXY-3-((4-HYDROXY-3-METHOXYPHENYL)METHYL)-, (3S-CIS)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.060 |
| Log Po/w (XLOGP3) : 2.820 |
| Log Po/w (WLOGP) : 2.110 |
| Log Po/w (MLOGP) : 1.320 |
| Log Po/w (SILICOS-IT) : 3.500 |
| Consensus Log Po/w : 2.560 |